..Furthermore, the ellipticity in the BCP of the py-ph bond is related to the corresponding geometrical properties (e.g., bond length and dihedral angle) and to the DFT-calculated HOMO and LUMO energies...

..However, such calculations on model clusters revealed relatively strong binding of the clusters, which renders reversible cluster breaking and reformation upon temperature cycling in the range up to 100 °C unlikely...

..Due to its simplicity, compactness, maintenance-free operation, and ease-of-use the presented low-cost laser is an ideal source for bio-medical applications outside laser laboratories and in particular inside clinics...

..commune or other basidiomycetous fungi, by means of resonance Raman microspectroscopy and CARS microscopy. These Raman methods bear the potential of label-free in vivo mitochondria localization and investigation...

..These results demonstrate that Raman microspectroscopy in combination with support vector machines allow an identification of important UTI bacteria within two hours without the need of a culture step. ..

Tumour cell identification by means of Raman spectroscopy in combination with optical traps and microfluidic environments

..The classification utilizing a tree-like classifier is also applied to the Streptomyces single-cell spectra, resulting in classification accuracies between 80 and 93% for the investigated Streptomyces species...

Towards a quantitative SERS approach--online monitoring of analytes in a microfluidic system with isotope-edited internal standards

..The complex [(dmcb)(2)Ru(dppz)](PF(6))(2) shows unexpected luminescence in water implying fundamentally different excited state relaxation pathways than are typically observed for complexes of this kind...

..The nanoparticles are characterized and their ability for use as SERS- and SERRS-active substrate is estimated. Three different Raman-active dyes are investigated for their potential for involvement in sequence specific DNA analysis...

..9 and 98.7%. The sample analysis itself requires no biomass enrichment step prior to the analysis and can be performed under biosafety level 1 (BSL 1) conditions after inactivating the bacteria with formaldehyde...

Single virus detection by means of atomic force microscopy in combination with advanced image analysis

..Due to the application of advanced image analysis the morphology could be quantified and used for further analysis. Here, an automatic recognition by means of a classification model could be achieved in a reliable and objective manner. ..

..Being able to determine the TPMT activity before starting a treatment using 6-mercaptopurine, an optimized dosage can be applied to each patient and serious toxicity appearing within thiopurine treatment will be prevented...

..This marks a promising step toward automated Raman spectroscopic blood analysis which holds the potential not only to assign the numbers of the cells but also to yield important biochemical information...

Towards a fast, high specific and reliable discrimination of bacteria on strain level by means of SERS in a microfluidic device

..Within this contribution the potential of our approach of bacterial identification for future application is discussed, focusing on the time-benefit and the combination with other microfluidic applications...

..The work presented paves the way for establishing Raman spectroscopy as a monitoring tool of the effectiveness of a chemotherapy treatment and can therefore be seen as a step towards personalized therapy...

..Since only the biotic particles are of interest, the analysis time can be minimized due to reduction of the data set. The biotic particles are then analyzed further with Raman spectroscopy and identified with a support vector machine...

..Here, rough coin metal surfaces enhance the Raman signal by a factor of 10(4)-10(15), depending on the applied method. In this review we discuss recent developments in SERS spectroscopy and their impact on different research fields...

..To test the SERS activity of these nanostar and nanodiamond arrays, a monolayer of the dye crystal violet is used. Enhancement factors are estimated to be at least 130 for the nanodiamond and 310 for the nanostar arrays...

Fluorescence dye as novel label molecule for quantitative SERS investigations of an antibiotic

..These first steps of automation and integration will help to realize a laboratory-independent bioanalytical tool, for the use outside of specialized laboratories for fast analysis of different chemical and biological applications...

Raman spectroscopy as a potential tool for detection of Brucella spp. in milk

..We find Raman microspectroscopy a suitable tool to determine the IV reliably, fast, and easily inside intact hyphae without extensive sample handling or treatment. The method can also be transferred to other microscopic samples. ..

..The living cells were identified by means of Raman spectroscopy in combination with a support vector machine. Furthermore, the localization of bacterial cells in a mix of abiotic particles is demonstrated...

..Making use of the resonance effects, spectra of microorganisms were recorded with a high S/N ratio, allowing afterwards a very precise identification and classification (to the strain level) of the measured samples...

..Within this contribution, previous reported applications on droplet-based flow-through Raman and SERS approaches and the additional benefit with regard to the importance in the field of analytics are considered...

..The model was successfully applied to identify single cells from an independent mixture of cells based on their vibrational spectra. The classification was confirmed by fluorescence staining of the cells after the Raman measurement...

The influence of intracellular storage material on bacterial identification by means of Raman spectroscopy

..Although the presence of PHB induced severe changes in the Raman spectra, our results suggest that Raman spectroscopy can be successfully used for identification as long as the bacteria are not in the stationary phase...

..Since a spatial differentiation between different compositional domains is difficult to achieve by topographic features only, the combination of morphology and spectral data enables a much more detailed characterization of biomembranes...

Derivation of correlation functions to predict bond properties of phenyl-CH bonds based on vibrational and (1)H NMR spectroscopic quantities